In this quick tutorial, we will show you how to easily generate carbon nanotube (CNT) models within SAMSON.
If you need help with installing new SAMSON Extensions to your SAMSON installation, please visit User guide: Adding Extensions from SAMSON Connect. If you need help with installing SAMSON itself, please visit User guide: Installing SAMSON.
Note: you can check whether you have this SAMSON Extension in at least two different ways:
- In SAMSON, in the Editors menu > All
- On the SAMSON Connect website, under User / My Extensions when you are signed in.
In SAMSON, only one editor is active at any time, so that you first have to activate the nanotube creator. You can do this with the Editors menu > Materials > Nanotube creator or using the search box in the top-right corner of SAMSON.
Note that SAMSON builds its interface from the SAMSON Extensions you add from SAMSON Connect, so your Editors toolbar may look different from the image above.
Building nanotubes models
You have two main ways to create nanotubes: interactively in the viewport (with the mouse), and with the nanotube creator GUI (graphical user interface).
Interactive nanotubes models building
You can interactively build nanotubes in the viewport in two steps:
- Set the nanotube axis: press and drag the left mouse button inside the viewport:During this step, the status bar gives you some information about the current structure, e.g.:
- set the nanotube n and m parameters: a) release the left mouse button, b) move the mouse to change n and m, c) click the left mouse button again to accept:
Make sure you check the status bar during this step as well to precisely choose the n and m parameters.
Building nanotubes from the GUI
If you want to precisely control the axis position, the best option might be to directly enter parameters from the editor GUI.
To show the editor GUI (if it is not already visible), click a second time on the editor icon (or select it again from the menu). You should see the following:
Note: selecting an editor alternatively shows and hides its GUI.
Using the GUI, you may easily create multi-walled nanotubes. For example, try (0, 0, 0) and (40, 0, 0) for the beginning and end positions of the nanotubes axes, respectively, to produce a 40-Angstrom-long nanotube. Then:
- Set n and m to 6. Press “Build”.
- Set n and m to 10. Press “Build”.
- Set n and m to 14. Press “Build”.
This will produce the multi-walled nanotube below:
To go further
Now that you know how to produce nanotubes models, you may want to produce images of them for publications, or interactively simulate nanotubes with the Brenner potential to build more complex objects.
Have fun, and don’t hesitate to use the SAMSON forum if you have any questions!